X5J4L2_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4L2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 85 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1A91.1Very high91.2Very high105 Ų10578.6 Ų78.687%0.86850%0.503SS*.  0154.6000000110.2S70 L71A1-S70 PolarHBondContact O-N 2.77Å; A1-L71 HydrophobicContact CB-CB 4.25Å; A1-L71 HydrophobicContact CB-CD1 4.44Å; A1-L71 PolarHBondContact O-N 2.75Å; A1-L71 VanDerWaalsContact O-N 3.14Å
2S94.9Very high89.6Confident78 Ų7879.8 Ų79.855%0.54549%0.491SS..  trans-144151.3177.758.90000111.2L68S2-L68 WeakPolarHBondContact CA-O 3.48Å; S2-L68 WeakPolarHBondContact CB-O 3.27Å
3V96.2Very high89.3Confident60 Ų6079.4 Ų79.436%0.36449%0.49SS..EExtended strand (participates in β ladder)trans-131.9147.5173.769.40000109.9I5 Q67 L68 L71V3-I5 HydrophobicContact CG2-CG1 4.43Å; V3-Q67 WeakPolarHBondContact O-CA 3.45Å; V3-L68 HydrophobicContact CG1-CB 4.04Å; V3-L68 HydrophobicContact CG1-CD1 4.23Å; V3-L68 PolarHBondContact N-O 2.81Å; V3-L68 PolarHBondContact O-N 3.39Å; V3-L71 HydrophobicContact CB-CD1 4.08Å; V3-L71 HydrophobicContact CG1-CD1 3.94Å; V3-L71 HydrophobicContact CG1-CD2 4.49Å
4K97.1Very high89.2Confident130 Ų13074.2 Ų74.257%0.56546%0.458SS*.EExtended strand (participates in β ladder)trans-118.4122.1172.1-174.3178.9178.3-175.50108.1Y65 M66K4-Y65 HydrophobicContact CD-CD1 4.37Å; K4-Y65 VanDerWaalsContact CE-CG 3.41Å; K4-Y65 HydrophobicContact CG-CD1 4.44Å; K4-M66 WeakPolarHBondContact CA-O 3.27Å
5I96.7Very high89.3Confident43 Ų4373.7 Ų73.722%0.22145%0.45CS..EExtended strand (participates in β ladder)trans-107.9139.3177.7-57.6163.3000107.4V3 W21 Y65 M66 Y79V3-I5 HydrophobicContact CG2-CG1 4.43Å; I5-W21 HydrophobicContact CB-CH2 4.42Å; I5-W21 HydrophobicContact CB-CZ3 4.08Å; I5-W21 HydrophobicContact CG2-CH2 4.04Å; I5-W21 HydrophobicContact CG2-CZ3 3.58Å; I5-Y65 CarbonylContact O-C 3.56Å; I5-Y65 VanDerWaalsContact O-CA 3.27Å; I5-Y65 WeakPolarHBondContact O-CA 3.31Å; I5-M66 HydrophobicContact CD1-CE 3.65Å; I5-M66 PolarHBondContact N-O 2.83Å; I5-M66 PolarHBondContact O-N 3.46Å; I5-Y79 HydrophobicContact CD1-CD1 4.33Å; I5-Y79 HydrophobicContact CD1-CD2 4.1Å; I5-Y79 HydrophobicContact CD1-CG 3.8Å
6S96.6Very high89.4Confident77 Ų7773.4 Ų73.454%0.53845%0.445SS..EExtended strand (participates in β ladder)trans-120140.1-179.358.20000111.2A64S6-A64 CarbonylContact C-O 3.52Å; S6-A64 WeakPolarHBondContact CA-O 3.38Å
7Y94.4Very high89.4Confident35 Ų3571.8 Ų71.814%0.13743%0.429CS..EExtended strand (participates in β ladder)trans-120.9122.6168.8169.7-105.3000108.6Y12 F14 I19 T63 A64 C81Y7-Y12 PolarHBondContact OH-OH 2.85Å; Y7-F14 HydrophobicContact CD1-CE2 4.28Å; Y7-F14 HydrophobicContact CE1-CE2 4.27Å; Y7-I19 HydrophobicContact CD1-CD1 4.13Å; Y7-I19 HydrophobicContact CD1-CG2 3.87Å; Y7-I19 HydrophobicContact CE1-CD1 3.75Å; Y7-I19 HydrophobicContact CE1-CG2 4.43Å; Y7-T63 CarbonylContact O-C 3.48Å; Y7-T63 VanDerWaalsContact O-CA 3.27Å; Y7-T63 WeakPolarHBondContact O-CA 3.49Å; Y7-T63 WeakPolarHBondContact O-CG2 3.44Å; Y7-A64 HydrophobicContact CD1-CB 4.46Å; Y7-A64 PolarHBondContact N-O 2.87Å; Y7-A64 PolarHBondContact O-N 3.48Å; Y7-C81 HydrophobicContact CD2-CB 4.03Å; Y7-C81 WeakPolarHBondContact CD2-SG 3.47Å; Y7-C81 HydrophobicContact CG-CB 4.01Å
8K94.3Very high89.7Confident152 Ų15269.8 Ų69.866%0.66142%0.416SS*.EExtended strand (participates in β ladder)trans-104.3115.2176.7-172.4175.1-176179.30108.8
9G87.1Confident90Very high10 Ų1066.2 Ų66.210%0.10339%0.394CS..  trans-67.9149.817600000111.6S62G9-S62 PolarHBondContact N-O 3.26Å
10S82.3Confident90.3Very high83 Ų8364.5 Ų64.558%0.5838%0.383SS*.  trans-140.4132.3178.956.30000111.7Y12S10-Y12 VanDerWaalsContact O-CD1 3.27Å; S10-Y12 WeakPolarHBondContact O-CD1 3.3Å; S10-Y12 WeakPolarHBondContact O-CE1 3.45Å; S10-Y12 PolarHBondContact O-N 3Å
11G72.9Confident90.6Very high92 Ų9261.5 Ų61.595%0.94837%0.365SS*.SBendtrans84.8-9.3165.600000117.7
12Y72.1Confident90.9Very high93 Ų9357.8 Ų57.837%0.36533%0.332SS..SBendtrans-129.2163.6177.320.4-91.4000111.2Y7 S10 F14 Y17Y7-Y12 PolarHBondContact OH-OH 2.85Å; S10-Y12 VanDerWaalsContact O-CD1 3.27Å; S10-Y12 WeakPolarHBondContact O-CD1 3.3Å; S10-Y12 WeakPolarHBondContact O-CE1 3.45Å; S10-Y12 PolarHBondContact O-N 3Å; Y12-F14 VanDerWaalsContact C-N 3.25Å; Y12-F14 PolarHBondContact O-N 3.19Å; Y12-Y17 HydrophobicContact CD2-CD2 4.39Å; Y12-Y17 HydrophobicContact CD2-CE2 4.48Å; Y12-Y17 HydrophobicContact CG-CE2 4.43Å
13P84.9Confident90.9Very high74 Ų7454.7 Ų54.748%0.48131%0.309SS..  trans-62.789.5172.4-13.226.7000109.3I15 D16 Y17P13-I15 HydrophobicContact CB-CG1 4.37Å; P13-I15 PolarHBondContact O-N 2.88Å; P13-D16 HydrophobicContact CB-CB 4.34Å; P13-D16 VanDerWaalsContact CB-OD2 3.23Å; P13-D16 WeakPolarHBondContact CB-OD2 3.36Å; P13-D16 PolarHBondContact O-N 3.02Å; P13-Y17 VanDerWaalsContact O-CD2 3.31Å; P13-Y17 WeakPolarHBondContact O-CD2 3.4Å
14F87.7Confident90.9Very high7 Ų755.3 Ų55.33%0.03131%0.307CS..G310 helixtrans-51.4-25-177.2169.6-100.2000113.1Y7 Y12 D16 I19 P38 V57 A64Y7-F14 HydrophobicContact CD1-CE2 4.28Å; Y7-F14 HydrophobicContact CE1-CE2 4.27Å; Y12-F14 VanDerWaalsContact C-N 3.25Å; Y12-F14 PolarHBondContact O-N 3.19Å; F14-D16 VanDerWaalsContact C-N 3.31Å; F14-D16 PolarHBondContact O-N 3.15Å; F14-I19 HydrophobicContact CD2-CD1 4.27Å; F14-I19 HydrophobicContact CE2-CD1 3.88Å; F14-I19 HydrophobicContact CE2-CG1 3.95Å; F14-I19 HydrophobicContact CZ-CG1 4.37Å; F14-P38 HydrophobicContact CD1-CB 4.29Å; F14-P38 HydrophobicContact CD1-CG 4.49Å; F14-P38 HydrophobicContact CE1-CB 3.97Å; F14-P38 HydrophobicContact CE1-CG 4.05Å; F14-P38 HydrophobicContact CZ-CB 4.47Å; F14-P38 HydrophobicContact CZ-CG 4.06Å; F14-P38 WeakPolarHBondContact O-CG 3.01Å; F14-V57 HydrophobicContact CE1-CG2 3.32Å; F14-V57 HydrophobicContact CZ-CG2 3.57Å; F14-A64 HydrophobicContact CE2-CB 4.36Å; F14-A64 HydrophobicContact CZ-CB 3.99Å
15I90.9Very high90.8Very high66 Ų6650 Ų5034%0.33829%0.287SS..G310 helixtrans-66.2-29.6176.557.1162.2000114.1P13 Y39P13-I15 HydrophobicContact CB-CG1 4.37Å; P13-I15 PolarHBondContact O-N 2.88Å; I15-Y39 HydrophobicContact CD1-CD2 4.42Å; I15-Y39 WeakPolarHBondContact O-CA 3.44Å; I15-Y39 VanDerWaalsContact O-CB 3.27Å; I15-Y39 WeakPolarHBondContact O-CB 3.33Å; I15-Y39 PolarHBondContact O-N 2.9Å
16D90.5Very high90.6Very high70 Ų7057.2 Ų57.237%0.37432%0.319SS..G310 helixtrans-91.4-4.4-168.7-63.4-26.6000113.4P13 F14 Y37P13-D16 HydrophobicContact CB-CB 4.34Å; P13-D16 VanDerWaalsContact CB-OD2 3.23Å; P13-D16 WeakPolarHBondContact CB-OD2 3.36Å; P13-D16 PolarHBondContact O-N 3.02Å; F14-D16 VanDerWaalsContact C-N 3.31Å; F14-D16 PolarHBondContact O-N 3.15Å; D16-Y37 WeakPolarHBondContact O-CE2 3.15Å
17Y90.8Very high90.3Very high46 Ų4657.5 Ų57.518%0.1834%0.335CS..SBendtrans-111.4139.1-173.9-71.6-101.7000112.1Y12 P13 I19 P38 E84 D85Y12-Y17 HydrophobicContact CD2-CD2 4.39Å; Y12-Y17 HydrophobicContact CD2-CE2 4.48Å; Y12-Y17 HydrophobicContact CG-CE2 4.43Å; P13-Y17 VanDerWaalsContact O-CD2 3.31Å; P13-Y17 WeakPolarHBondContact O-CD2 3.4Å; Y17-I19 PolarHBondContact O-N 3.45Å; Y17-P38 WeakPolarHBondContact O-CD 3.34Å; Y17-E84 WeakPolarHBondContact CA-O 3.36Å; Y17-D85 HydrophobicContact CE1-CB 4.12Å; Y17-D85 WeakPolarHBondContact CE1-OD1 3.36Å; Y17-D85 PolarHBondContact OH-OD1 3.45Å
18N93.4Very high90.1Very high36 Ų3663 Ų6319%0.19336%0.359CS..EExtended strand (participates in β ladder)trans-71.1132.2169.1-73-72.4000109.8L20 Y35 Y37 S83 E84N18-L20 HydrophobicContact CB-CD1 4.29Å; N18-Y35 HydrophobicContact CB-CD2 4.36Å; N18-Y35 VanDerWaalsContact OD1-CD2 3.26Å; N18-Y35 WeakPolarHBondContact OD1-CD2 3.29Å; N18-Y35 WeakPolarHBondContact OD1-CE2 3.44Å; N18-Y37 WeakPolarHBondContact OD1-CB 3.14Å; N18-Y37 WeakPolarHBondContact OD1-CD2 3.46Å; N18-S83 CarbonylContact O-C 3.56Å; N18-S83 WeakPolarHBondContact O-CA 3.4Å; N18-E84 PolarHBondContact N-O 3.41Å; N18-E84 PolarHBondContact O-N 2.62Å
19I95.3Very high90Very high0 Ų061.1 Ų61.10%036%0.364CS..EExtended strand (participates in β ladder)trans-100.3109173-50.3-53.3000108.6Y7 F14 Y17 Y35 I36 P38 A64 A82Y7-I19 HydrophobicContact CD1-CD1 4.13Å; Y7-I19 HydrophobicContact CD1-CG2 3.87Å; Y7-I19 HydrophobicContact CE1-CD1 3.75Å; Y7-I19 HydrophobicContact CE1-CG2 4.43Å; F14-I19 HydrophobicContact CD2-CD1 4.27Å; F14-I19 HydrophobicContact CE2-CD1 3.88Å; F14-I19 HydrophobicContact CE2-CG1 3.95Å; F14-I19 HydrophobicContact CZ-CG1 4.37Å; Y17-I19 PolarHBondContact O-N 3.45Å; I19-Y35 CarbonylContact O-C 3.59Å; I19-Y35 WeakPolarHBondContact O-CA 3.31Å; I19-I36 HydrophobicContact CB-CG2 3.98Å; I19-I36 PolarHBondContact N-O 3.28Å; I19-I36 PolarHBondContact O-N 3.09Å; I19-P38 HydrophobicContact CG1-CG 3.9Å; I19-A64 HydrophobicContact CB-CB 4.2Å; I19-A64 HydrophobicContact CG1-CB 4.11Å; I19-A64 HydrophobicContact CG2-CB 3.82Å; I19-A82 CarbonylContact C-O 3.45Å; I19-A82 WeakPolarHBondContact CA-O 3.3Å
20L96.1Very high90.4Very high33 Ų3366 Ų6617%0.17339%0.387CS..EExtended strand (participates in β ladder)trans-92.9140.9179.3-62.394.1000110.8N18 C81 A82 E84N18-L20 HydrophobicContact CB-CD1 4.29Å; L20-C81 VanDerWaalsContact O-CA 3.26Å; L20-C81 WeakPolarHBondContact O-CA 3.46Å; L20-A82 PolarHBondContact N-O 2.81Å; L20-A82 PolarHBondContact O-N 2.78Å; L20-E84 HydrophobicContact CD1-CB 3.37Å; L20-E84 HydrophobicContact CD1-CG 4.39Å
21W97.6Very high91Very high1 Ų164.9 Ų64.90%0.00437%0.372CS..EExtended strand (participates in β ladder)trans-116.3132.1175.3-65.289.9000110I5 I33 G34 L55 A64 M66 C81I5-W21 HydrophobicContact CB-CH2 4.42Å; I5-W21 HydrophobicContact CB-CZ3 4.08Å; I5-W21 HydrophobicContact CG2-CH2 4.04Å; I5-W21 HydrophobicContact CG2-CZ3 3.58Å; W21-I33 HydrophobicContact CB-CB 4.12Å; W21-I33 HydrophobicContact CB-CD1 4.32Å; W21-I33 WeakPolarHBondContact O-CB 3.46Å; W21-I33 PolarHBondContact O-N 3.48Å; W21-G34 PolarHBondContact N-O 2.62Å; W21-L55 HydrophobicContact CG-CD2 4.07Å; W21-A64 HydrophobicContact CZ2-CB 4.17Å; W21-M66 HydrophobicContact CB-SD 3.8Å; W21-M66 HydrophobicContact CD2-CB 3.66Å; W21-M66 HydrophobicContact CD2-CE 4.4Å; W21-M66 HydrophobicContact CD2-CG 4.44Å; W21-M66 HydrophobicContact CD2-SD 4.07Å; W21-M66 HydrophobicContact CE3-CB 3.84Å; W21-M66 HydrophobicContact CE3-CE 3.84Å; W21-M66 HydrophobicContact CE3-SD 4.12Å; W21-M66 HydrophobicContact CG-CB 4.19Å; W21-M66 HydrophobicContact CG-SD 3.96Å; W21-M66 HydrophobicContact CH2-CB 4.15Å; W21-M66 HydrophobicContact CZ2-CB 3.99Å; W21-M66 HydrophobicContact CZ3-CB 4.08Å; W21-M66 HydrophobicContact CZ3-CE 4.45Å; W21-C81 HydrophobicContact CD2-CB 4.34Å; W21-C81 HydrophobicContact CE3-CB 3.89Å; W21-C81 HydrophobicContact CH2-CB 4.07Å; W21-C81 HydrophobicContact CZ2-CB 4.48Å; W21-C81 HydrophobicContact CZ3-CB 3.74Å
22V96.8Very high92.1Very high28 Ų2864.9 Ų64.917%0.1734%0.344CS..EExtended strand (participates in β ladder)trans-135.7139.5-174.2-173.50000109.8L30 E31 Y79 Y80V22-L30 HydrophobicContact CG1-CB 3.72Å; V22-L30 HydrophobicContact CG1-CD1 4.5Å; V22-L30 HydrophobicContact CG1-CD2 3.85Å; V22-L30 HydrophobicContact CG1-CG 4.22Å; V22-E31 WeakPolarHBondContact CA-O 3.26Å; V22-E31 WeakPolarHBondContact CG1-O 3.47Å; V22-Y79 WeakPolarHBondContact O-CA 3.44Å; V22-Y80 PolarHBondContact N-O 2.95Å; V22-Y80 PolarHBondContact O-N 2.94Å
23K96.1Very high93.3Very high13 Ų1360.5 Ų60.56%0.05733%0.327CS..EExtended strand (participates in β ladder)trans-105.5136.7174.7-176.8-177.4176.8-173.90109.7S25 E31 I33 F49 E74 D75 A77 Y79K23-S25 WeakPolarHBondContact CE-OG 3.44Å; K23-E31 PolarHBondContact N-O 3.3Å; K23-E31 PolarHBondContact O-N 2.89Å; K23-I33 HydrophobicContact CB-CD1 3.98Å; K23-I33 HydrophobicContact CB-CG1 4.1Å; K23-F49 HydrophobicContact CB-CZ 4.34Å; K23-F49 HydrophobicContact CD-CE1 3.97Å; K23-F49 HydrophobicContact CD-CZ 3.82Å; K23-E74 PolarHBondContact NZ-O 2.87Å; K23-D75 IonicContact NZ-OD1 3.71Å; K23-A77 HydrophobicContact CD-CB 4.14Å; K23-A77 HydrophobicContact CG-CB 3.52Å; K23-Y79 HydrophobicContact CB-CD1 4.22Å; K23-Y79 HydrophobicContact CB-CE1 4.01Å; K23-Y79 HydrophobicContact CD-CE1 4.09Å; K23-Y79 HydrophobicContact CG-CD1 4.32Å; K23-Y79 HydrophobicContact CG-CE1 3.78Å
24Q96.2Very high93.9Very high72 Ų7257 Ų5734%0.33630%0.304SS..EExtended strand (participates in β ladder)trans-122.7103.1168.2-163.5178.526.200110.2L30 A77 V78 Y80Q24-L30 HydrophobicContact CB-CD2 3.71Å; Q24-L30 HydrophobicContact CG-CD2 3.87Å; Q24-A77 WeakPolarHBondContact O-CA 3.42Å; Q24-A77 VanDerWaalsContact O-CB 3.3Å; Q24-A77 WeakPolarHBondContact O-CB 3.37Å; Q24-V78 PolarHBondContact N-O 3.48Å; Q24-V78 PolarHBondContact O-N 3.5Å; Q24-Y80 HydrophobicContact CB-CD2 4.33Å; Q24-Y80 HydrophobicContact CB-CE2 3.77Å; Q24-Y80 PolarHBondContact OE1-OH 2.81Å
25S94.3Very high94.3Very high20 Ų2060.8 Ų60.814%0.1432%0.319CS..  trans-77.3153.1170.6-72.20000111K23 G27 K28K23-S25 WeakPolarHBondContact CE-OG 3.44Å; S25-G27 PolarHBondContact O-N 2.81Å; S25-K28 PolarHBondContact O-N 3.09Å
26H92.8Very high94.6Very high194 Ų19457.9 Ų57.990%0.89830%0.304SS*.THydrogen-bonded Turntrans-53.5123.2178.6-163.4125.5000111K28H26-K28 PolarHBondContact O-N 3.05Å
27G90.3Very high94.8Very high83 Ų8357.4 Ų57.486%0.85630%0.297SS*.THydrogen-bonded Turntrans69.710.3178.900000115.3S25S25-G27 PolarHBondContact O-N 2.81Å
28K90.4Very high95Very high149 Ų14955.2 Ų55.265%0.64829%0.289SS*.SBendtrans-112.5159177.2-61.7-167-178.8-179.60111.8S25 H26S25-K28 PolarHBondContact O-N 3.09Å; H26-K28 PolarHBondContact O-N 3.05Å
29C91.8Very high94.9Very high113 Ų11360.2 Ų60.276%0.76431%0.306SS*.  trans-63.8163.8170.2-60.70000111.5E31C29-E31 PolarHBondContact O-N 2.98Å
30L94.4Very high94.8Very high112 Ų11265.5 Ų65.559%0.58633%0.334SS*.EExtended strand (participates in β ladder)trans-62127.6170.6-68.4178.2000110.1V22 Q24 Y80V22-L30 HydrophobicContact CG1-CB 3.72Å; V22-L30 HydrophobicContact CG1-CD1 4.5Å; V22-L30 HydrophobicContact CG1-CD2 3.85Å; V22-L30 HydrophobicContact CG1-CG 4.22Å; Q24-L30 HydrophobicContact CB-CD2 3.71Å; Q24-L30 HydrophobicContact CG-CD2 3.87Å; L30-Y80 HydrophobicContact CD2-CD2 4.27Å; L30-Y80 HydrophobicContact CD2-CE2 4.37Å
31E95.6Very high94.6Very high60 Ų6065.5 Ų65.528%0.2834%0.342SS..EExtended strand (participates in β ladder)trans-110.7116.7176.1-168.1-179.5-169.400109V22 K23 C29 I33 N48 F49V22-E31 WeakPolarHBondContact CA-O 3.26Å; V22-E31 WeakPolarHBondContact CG1-O 3.47Å; K23-E31 PolarHBondContact N-O 3.3Å; K23-E31 PolarHBondContact O-N 2.89Å; C29-E31 PolarHBondContact O-N 2.98Å; E31-I33 PolarHBondContact O-N 2.81Å; E31-N48 PolarHBondContact OE1-ND2 2.71Å; E31-F49 VanDerWaalsContact CD-CE2 3.41Å; E31-F49 HydrophobicContact CG-CE2 3.81Å; E31-F49 HydrophobicContact CG-CZ 4.26Å; E31-F49 WeakPolarHBondContact OE1-CE2 3.26Å; E31-F49 WeakPolarHBondContact OE2-CZ 3.19Å
32W96.4Very high94.5Very high93 Ų9366.8 Ų66.835%0.35236%0.356SS..EExtended strand (participates in β ladder)trans-68.9130.4176.7178.180.4000110.6G34 Y35 Y45 N46W32-G34 PolarHBondContact NE1-O 3.19Å; W32-Y35 HydrophobicContact CH2-CD1 4.3Å; W32-Y35 AromaticContact CZ2-CD1 3.68Å; W32-Y35 HydrophobicContact CZ2-CD1 3.68Å; W32-Y35 HydrophobicContact CZ2-CE1 4.42Å; W32-Y45 VanDerWaalsContact CZ3-C 3.47Å; W32-N46 HydrophobicContact CE3-CB 3.6Å; W32-N46 HydrophobicContact CZ3-CB 3.82Å; W32-N46 WeakPolarHBondContact O-CB 3.45Å; W32-N46 PolarHBondContact O-ND2 2.89Å
33I97.2Very high94.5Very high0 Ų068.5 Ų68.50%037%0.366CS..EExtended strand (participates in β ladder)trans-93.4-46.1-179.5-59.9174.3000110.1W21 K23 E31 N46 F49 A53 M66 Y79W21-I33 HydrophobicContact CB-CB 4.12Å; W21-I33 HydrophobicContact CB-CD1 4.32Å; W21-I33 WeakPolarHBondContact O-CB 3.46Å; W21-I33 PolarHBondContact O-N 3.48Å; K23-I33 HydrophobicContact CB-CD1 3.98Å; K23-I33 HydrophobicContact CB-CG1 4.1Å; E31-I33 PolarHBondContact O-N 2.81Å; I33-N46 PolarHBondContact O-N 2.96Å; I33-F49 HydrophobicContact CB-CD1 4.44Å; I33-F49 HydrophobicContact CB-CD2 4.38Å; I33-F49 HydrophobicContact CB-CG 4.24Å; I33-F49 HydrophobicContact CD1-CE1 4.45Å; I33-F49 HydrophobicContact CG1-CD1 4.11Å; I33-F49 HydrophobicContact CG1-CD2 4.34Å; I33-F49 HydrophobicContact CG1-CE1 3.98Å; I33-F49 HydrophobicContact CG1-CE2 4.2Å; I33-F49 HydrophobicContact CG1-CG 4.29Å; I33-F49 HydrophobicContact CG1-CZ 4.02Å; I33-F49 HydrophobicContact CG2-CB 3.79Å; I33-F49 HydrophobicContact CG2-CD1 3.89Å; I33-F49 HydrophobicContact CG2-CD2 4.36Å; I33-F49 HydrophobicContact CG2-CG 3.75Å; I33-A53 HydrophobicContact CG2-CB 3.8Å; I33-M66 HydrophobicContact CB-SD 4.45Å; I33-M66 HydrophobicContact CD1-CE 3.79Å; I33-M66 HydrophobicContact CD1-SD 3.59Å; I33-M66 VanDerWaalsContact CD1-SD 3.59Å; I33-M66 HydrophobicContact CG2-SD 3.83Å; I33-Y79 HydrophobicContact CD1-CD1 3.8Å; I33-Y79 HydrophobicContact CD1-CE1 3.96Å
34G97.2Very high94.5Very high0 Ų068.5 Ų68.50%037%0.37CS..EExtended strand (participates in β ladder)trans164-179.9-172.300000112W21 W32 G44W21-G34 PolarHBondContact N-O 2.62Å; W32-G34 PolarHBondContact NE1-O 3.19Å; G34-G44 CarbonylContact C-O 3.58Å; G34-G44 WeakPolarHBondContact CA-O 3.46Å
35Y96.9Very high94.6Very high88 Ų8868.4 Ų68.435%0.34537%0.367SS..EExtended strand (participates in β ladder)trans-139.5158.1175.177-75.2000111.2N18 I19 W32 T43 G44 L55N18-Y35 HydrophobicContact CB-CD2 4.36Å; N18-Y35 VanDerWaalsContact OD1-CD2 3.26Å; N18-Y35 WeakPolarHBondContact OD1-CD2 3.29Å; N18-Y35 WeakPolarHBondContact OD1-CE2 3.44Å; I19-Y35 CarbonylContact O-C 3.59Å; I19-Y35 WeakPolarHBondContact O-CA 3.31Å; W32-Y35 HydrophobicContact CH2-CD1 4.3Å; W32-Y35 AromaticContact CZ2-CD1 3.68Å; W32-Y35 HydrophobicContact CZ2-CD1 3.68Å; W32-Y35 HydrophobicContact CZ2-CE1 4.42Å; Y35-T43 VanDerWaalsContact O-CA 3.31Å; Y35-T43 WeakPolarHBondContact O-CA 2.92Å; Y35-G44 VanDerWaalsContact CE1-CA 3.42Å; Y35-G44 PolarHBondContact N-O 2.65Å; Y35-G44 PolarHBondContact O-N 2.83Å; Y35-L55 VanDerWaalsContact C-CD1 3.48Å; Y35-L55 VanDerWaalsContact O-CD1 3.3Å; Y35-L55 WeakPolarHBondContact O-CD1 3.3Å
36I96.3Very high94.7Very high4 Ų469 Ų692%0.02137%0.369CS..EExtended strand (participates in β ladder)trans-128.2131.9166.9-175.4162.5000109I19 P38 G42 T43 L55 V57 A64I19-I36 HydrophobicContact CB-CG2 3.98Å; I19-I36 PolarHBondContact N-O 3.28Å; I19-I36 PolarHBondContact O-N 3.09Å; I36-P38 WeakPolarHBondContact O-CD 3.49Å; I36-G42 CarbonylContact C-O 3.59Å; I36-G42 WeakPolarHBondContact CA-O 3.4Å; I36-T43 HydrophobicContact CB-CG2 3.97Å; I36-T43 HydrophobicContact CD1-CG2 3.88Å; I36-T43 HydrophobicContact CG1-CG2 3.77Å; I36-L55 HydrophobicContact CB-CB 4.15Å; I36-L55 HydrophobicContact CD1-CB 4.41Å; I36-V57 HydrophobicContact CD1-CB 3.93Å; I36-V57 HydrophobicContact CD1-CG1 3.94Å; I36-A64 HydrophobicContact CG2-CB 4.42Å
37Y95.3Very high94.8Very high61 Ų6165.4 Ų65.424%0.23936%0.361CS..EExtended strand (participates in β ladder)trans-95.5105.6172.2-172.1-134.8000109.3D16 N18 Y39 N40 G41 G42D16-Y37 WeakPolarHBondContact O-CE2 3.15Å; N18-Y37 WeakPolarHBondContact OD1-CB 3.14Å; N18-Y37 WeakPolarHBondContact OD1-CD2 3.46Å; Y37-Y39 VanDerWaalsContact C-N 3.28Å; Y37-Y39 VanDerWaalsContact CE1-CB 3.43Å; Y37-Y39 HydrophobicContact CE1-CD1 4.04Å; Y37-Y39 HydrophobicContact CE1-CG 4.11Å; Y37-Y39 PolarHBondContact O-N 3.23Å; Y37-N40 WeakPolarHBondContact CD1-OD1 3.21Å; Y37-G41 VanDerWaalsContact O-CA 3.23Å; Y37-G41 WeakPolarHBondContact O-CA 3.34Å; Y37-G41 PolarHBondContact O-N 3.48Å; Y37-G42 PolarHBondContact N-O 3.28Å; Y37-G42 PolarHBondContact O-N 3.26Å
38P94.1Very high94.8Very high0 Ų066.5 Ų66.50%035%0.347CS..THydrogen-bonded Turntrans-64.7-27.2-170.5-27.840.5000114.6F14 Y17 I19 I36 N40 V57 K59F14-P38 HydrophobicContact CD1-CB 4.29Å; F14-P38 HydrophobicContact CD1-CG 4.49Å; F14-P38 HydrophobicContact CE1-CB 3.97Å; F14-P38 HydrophobicContact CE1-CG 4.05Å; F14-P38 HydrophobicContact CZ-CB 4.47Å; F14-P38 HydrophobicContact CZ-CG 4.06Å; F14-P38 WeakPolarHBondContact O-CG 3.01Å; Y17-P38 WeakPolarHBondContact O-CD 3.34Å; I19-P38 HydrophobicContact CG1-CG 3.9Å; I36-P38 WeakPolarHBondContact O-CD 3.49Å; P38-N40 PolarHBondContact O-N 3.33Å; P38-V57 HydrophobicContact CB-CG1 4.48Å; P38-V57 HydrophobicContact CB-CG2 3.86Å; P38-V57 HydrophobicContact CG-CG2 4.15Å; P38-K59 WeakPolarHBondContact O-CE 2.86Å; P38-K59 PolarHBondContact O-NZ 3Å
39Y92.6Very high95Very high140 Ų14059.8 Ų59.855%0.54932%0.318SS..THydrogen-bonded Turntrans-53.9-54.8179.2-178.1-105.2000112.2I15 Y37 K59I15-Y39 HydrophobicContact CD1-CD2 4.42Å; I15-Y39 WeakPolarHBondContact O-CA 3.44Å; I15-Y39 VanDerWaalsContact O-CB 3.27Å; I15-Y39 WeakPolarHBondContact O-CB 3.33Å; I15-Y39 PolarHBondContact O-N 2.9Å; Y37-Y39 VanDerWaalsContact C-N 3.28Å; Y37-Y39 VanDerWaalsContact CE1-CB 3.43Å; Y37-Y39 HydrophobicContact CE1-CD1 4.04Å; Y37-Y39 HydrophobicContact CE1-CG 4.11Å; Y37-Y39 PolarHBondContact O-N 3.23Å; Y39-K59 PolarHBondContact O-NZ 2.8Å
40N93.1Very high95.1Very high111 Ų11162.3 Ų62.359%0.59432%0.315SS*.THydrogen-bonded Turntrans-111.9-4.5-178.166.210.6000114.1Y37 P38 G42Y37-N40 WeakPolarHBondContact CD1-OD1 3.21Å; P38-N40 PolarHBondContact O-N 3.33Å; N40-G42 VanDerWaalsContact C-N 3.28Å; N40-G42 WeakPolarHBondContact OD1-CA 3.42Å; N40-G42 PolarHBondContact OD1-N 3.02Å
41G92.4Very high95Very high34 Ų3460.5 Ų60.535%0.35132%0.324SS..THydrogen-bonded Turntrans76.512.9-176.700000114.1Y37Y37-G41 VanDerWaalsContact O-CA 3.23Å; Y37-G41 WeakPolarHBondContact O-CA 3.34Å; Y37-G41 PolarHBondContact O-N 3.48Å
42G95.2Very high94.9Very high28 Ų2859.9 Ų59.929%0.28932%0.32SS..EExtended strand (participates in β ladder)trans-58.9135.9176.200000110.7I36 Y37 N40I36-G42 CarbonylContact C-O 3.59Å; I36-G42 WeakPolarHBondContact CA-O 3.4Å; Y37-G42 PolarHBondContact N-O 3.28Å; Y37-G42 PolarHBondContact O-N 3.26Å; N40-G42 VanDerWaalsContact C-N 3.28Å; N40-G42 WeakPolarHBondContact OD1-CA 3.42Å; N40-G42 PolarHBondContact OD1-N 3.02Å
43T96.6Very high95Very high63 Ų6355.6 Ų55.639%0.38731%0.305SS..EExtended strand (participates in β ladder)trans-128.8142.2-179.752.70000110.9Y35 I36 Y45 L55Y35-T43 VanDerWaalsContact O-CA 3.31Å; Y35-T43 WeakPolarHBondContact O-CA 2.92Å; I36-T43 HydrophobicContact CB-CG2 3.97Å; I36-T43 HydrophobicContact CD1-CG2 3.88Å; I36-T43 HydrophobicContact CG1-CG2 3.77Å; T43-Y45 WeakPolarHBondContact OG1-CE2 3.23Å; T43-L55 HydrophobicContact CG2-CB 4.14Å
44G96.1Very high95Very high14 Ų1457.7 Ų57.714%0.14432%0.318CS..EExtended strand (participates in β ladder)trans-126.9148.5167.600000110.2G34 Y35G34-G44 CarbonylContact C-O 3.58Å; G34-G44 WeakPolarHBondContact CA-O 3.46Å; Y35-G44 VanDerWaalsContact CE1-CA 3.42Å; Y35-G44 PolarHBondContact N-O 2.65Å; Y35-G44 PolarHBondContact O-N 2.83Å
45Y97.4Very high95Very high69 Ų6958 Ų5827%0.27132%0.319SS..EExtended strand (participates in β ladder)trans-133145-175.2-65.3-92.6000110.1W32 T43 A53 L55W32-Y45 VanDerWaalsContact CZ3-C 3.47Å; T43-Y45 WeakPolarHBondContact OG1-CE2 3.23Å; Y45-A53 HydrophobicContact CD1-CB 4.41Å; Y45-A53 HydrophobicContact CE1-CB 4.27Å; Y45-A53 WeakPolarHBondContact CE1-O 3.4Å; Y45-L55 HydrophobicContact CE1-CD1 4.06Å; Y45-L55 HydrophobicContact CE1-CG 3.74Å; Y45-L55 PolarHBondContact OH-N 2.95Å; Y45-L55 VanDerWaalsContact OH-N 3.08Å
46N96.1Very high95Very high34 Ų3457.9 Ų57.918%0.18233%0.325CS..  trans-67.9140.9160.5-174.1-33.8000109.1W32 I33 N48 F49 K50W32-N46 HydrophobicContact CE3-CB 3.6Å; W32-N46 HydrophobicContact CZ3-CB 3.82Å; W32-N46 WeakPolarHBondContact O-CB 3.45Å; W32-N46 PolarHBondContact O-ND2 2.89Å; I33-N46 PolarHBondContact O-N 2.96Å; N46-N48 PolarHBondContact O-N 3.07Å; N46-N48 VanDerWaalsContact O-N 3.15Å; N46-N48 PolarHBondContact OD1-N 2.83Å; N46-F49 HydrophobicContact CB-CD2 3.97Å; N46-F49 PolarHBondContact O-N 2.82Å; N46-K50 PolarHBondContact O-N 2.99Å
47V94.7Very high94.9Very high118 Ų11859.4 Ų59.472%0.71533%0.334SS*.G310 helixtrans-52.5-35.9177.767.20000112.5F49 K50V47-F49 VanDerWaalsContact C-N 3.25Å; V47-F49 PolarHBondContact O-N 2.98Å; V47-K50 PolarHBondContact O-N 2.88Å
48N92.2Very high94.9Very high106 Ų10659.1 Ų59.157%0.56734%0.337SS*.G310 helixtrans-66.6-25.3179.7-66.8-14.9000113.5E31 N46E31-N48 PolarHBondContact OE1-ND2 2.71Å; N46-N48 PolarHBondContact O-N 3.07Å; N46-N48 VanDerWaalsContact O-N 3.15Å; N46-N48 PolarHBondContact OD1-N 2.83Å
49F94.4Very high94.8Very high8 Ų864.1 Ų64.14%0.03536%0.359CS..G310 helixtrans-110.1-4.1-176-64.2-91000113K23 E31 I33 N46 V47 G51 K52 A53K23-F49 HydrophobicContact CB-CZ 4.34Å; K23-F49 HydrophobicContact CD-CE1 3.97Å; K23-F49 HydrophobicContact CD-CZ 3.82Å; E31-F49 VanDerWaalsContact CD-CE2 3.41Å; E31-F49 HydrophobicContact CG-CE2 3.81Å; E31-F49 HydrophobicContact CG-CZ 4.26Å; E31-F49 WeakPolarHBondContact OE1-CE2 3.26Å; E31-F49 WeakPolarHBondContact OE2-CZ 3.19Å; I33-F49 HydrophobicContact CB-CD1 4.44Å; I33-F49 HydrophobicContact CB-CD2 4.38Å; I33-F49 HydrophobicContact CB-CG 4.24Å; I33-F49 HydrophobicContact CD1-CE1 4.45Å; I33-F49 HydrophobicContact CG1-CD1 4.11Å; I33-F49 HydrophobicContact CG1-CD2 4.34Å; I33-F49 HydrophobicContact CG1-CE1 3.98Å; I33-F49 HydrophobicContact CG1-CE2 4.2Å; I33-F49 HydrophobicContact CG1-CG 4.29Å; I33-F49 HydrophobicContact CG1-CZ 4.02Å; I33-F49 HydrophobicContact CG2-CB 3.79Å; I33-F49 HydrophobicContact CG2-CD1 3.89Å; I33-F49 HydrophobicContact CG2-CD2 4.36Å; I33-F49 HydrophobicContact CG2-CG 3.75Å; N46-F49 HydrophobicContact CB-CD2 3.97Å; N46-F49 PolarHBondContact O-N 2.82Å; V47-F49 VanDerWaalsContact C-N 3.25Å; V47-F49 PolarHBondContact O-N 2.98Å; F49-G51 PolarHBondContact O-N 3.28Å; F49-K52 PolarHBondContact O-N 3.05Å; F49-A53 HydrophobicContact CB-CB 4.16Å; F49-A53 PolarHBondContact O-N 3.24Å
50K92.9Very high94.7Very high165 Ų16562.8 Ų62.872%0.71737%0.37SS*.BIsolated β-bridgetrans-61.1124.1176.6-164.3176.3-175.1178.80109.6N46 V47 K52N46-K50 PolarHBondContact O-N 2.99Å; V47-K50 PolarHBondContact O-N 2.88Å; K50-K52 PolarHBondContact O-N 3.14Å
51G91.9Very high94.7Very high75 Ų7559.3 Ų59.377%0.77335%0.354SS*.THydrogen-bonded Turntrans84-17-176.100000114.9F49F49-G51 PolarHBondContact O-N 3.28Å
52K94.9Very high94.8Very high46 Ų4659.7 Ų59.720%0.235%0.352CS..THydrogen-bonded Turntrans-93.9-43.9174.1-164.3173.9-168.4173.20112.3F49 K50 K69 D75F49-K52 PolarHBondContact O-N 3.05Å; K50-K52 PolarHBondContact O-N 3.14Å; K52-K69 VanDerWaalsContact CG-O 3.3Å; K52-K69 WeakPolarHBondContact CG-O 3.23Å; K52-K69 PolarHBondContact O-N 2.67Å; K52-D75 WeakPolarHBondContact CE-OD1 2.97Å; K52-D75 WeakPolarHBondContact CE-OD2 3.35Å; K52-D75 IonicContact NZ-OD1 2.71Å; K52-D75 PolarHBondContact NZ-OD1 3.48Å; K52-D75 IonicContact NZ-OD2 2.62Å; K52-D75 PolarHBondContact NZ-OD2 2.97Å
53A96.9Very high94.8Very high4 Ų458.9 Ų58.93%0.03334%0.341CS..EExtended strand (participates in β ladder)trans-92.9142.8175.200000111I33 Y45 F49 Q67 L68I33-A53 HydrophobicContact CG2-CB 3.8Å; Y45-A53 HydrophobicContact CD1-CB 4.41Å; Y45-A53 HydrophobicContact CE1-CB 4.27Å; Y45-A53 WeakPolarHBondContact CE1-O 3.4Å; F49-A53 HydrophobicContact CB-CB 4.16Å; F49-A53 PolarHBondContact O-N 3.24Å; A53-Q67 CarbonylContact C-O 3.58Å; A53-Q67 WeakPolarHBondContact CA-O 3.23Å; A53-L68 HydrophobicContact CB-CD2 3.82Å
54T97.6Very high94.8Very high44 Ų4455.9 Ų55.927%0.2732%0.323SS..EExtended strand (participates in β ladder)trans-128.9119.3168.8-53.50000108.1Q67T54-Q67 PolarHBondContact N-O 2.79Å; T54-Q67 PolarHBondContact O-N 2.92Å
55L97.4Very high94.9Very high5 Ų557.7 Ų57.73%0.02633%0.325CS..EExtended strand (participates in β ladder)trans-98.7134.6179.2-53.4-178.1000110W21 Y35 I36 T43 Y45 Y65 M66W21-L55 HydrophobicContact CG-CD2 4.07Å; Y35-L55 VanDerWaalsContact C-CD1 3.48Å; Y35-L55 VanDerWaalsContact O-CD1 3.3Å; Y35-L55 WeakPolarHBondContact O-CD1 3.3Å; I36-L55 HydrophobicContact CB-CB 4.15Å; I36-L55 HydrophobicContact CD1-CB 4.41Å; T43-L55 HydrophobicContact CG2-CB 4.14Å; Y45-L55 HydrophobicContact CE1-CD1 4.06Å; Y45-L55 HydrophobicContact CE1-CG 3.74Å; Y45-L55 PolarHBondContact OH-N 2.95Å; Y45-L55 VanDerWaalsContact OH-N 3.08Å; L55-Y65 WeakPolarHBondContact CA-O 2.94Å; L55-M66 HydrophobicContact CD2-CB 3.7Å; L55-M66 HydrophobicContact CD2-CG 3.61Å; L55-M66 HydrophobicContact CD2-SD 4.18Å
56N96Very high94.9Very high87 Ų8754.4 Ų54.447%0.46531%0.313SS..EExtended strand (participates in β ladder)trans-141.9162.9178.6-74.3-68.9000110.7Y65N56-Y65 PolarHBondContact N-O 3.05Å; N56-Y65 PolarHBondContact O-N 2.95Å
57V95.6Very high94.9Very high35 Ų3555.7 Ų55.721%0.21232%0.318CS..EExtended strand (participates in β ladder)trans-140.6138.6178.267.20000111.4F14 I36 P38F14-V57 HydrophobicContact CE1-CG2 3.32Å; F14-V57 HydrophobicContact CZ-CG2 3.57Å; I36-V57 HydrophobicContact CD1-CB 3.93Å; I36-V57 HydrophobicContact CD1-CG1 3.94Å; P38-V57 HydrophobicContact CB-CG1 4.48Å; P38-V57 HydrophobicContact CB-CG2 3.86Å; P38-V57 HydrophobicContact CG-CG2 4.15Å
58D94.5Very high95Very high56 Ų5650.1 Ų50.130%0.29928%0.284SS..EExtended strand (participates in β ladder)trans-108.8105.7165.6176.16.5000108.6S60 S61 S62 T63 Y65D58-S60 VanDerWaalsContact C-N 3.3Å; D58-S60 PolarHBondContact O-N 3.49Å; D58-S60 WeakPolarHBondContact OD1-CB 3.34Å; D58-S60 PolarHBondContact OD1-N 2.83Å; D58-S60 PolarHBondContact OD1-OG 3.25Å; D58-S60 PolarHBondContact OD2-OG 3.48Å; D58-S61 WeakPolarHBondContact CB-OG 3.47Å; D58-S61 PolarHBondContact OD1-N 2.88Å; D58-S61 WeakPolarHBondContact OD2-CB 3.37Å; D58-S61 PolarHBondContact OD2-OG 3.08Å; D58-S62 PolarHBondContact O-N 2.84Å; D58-S62 VanDerWaalsContact O-N 3.11Å; D58-T63 PolarHBondContact N-O 2.91Å; D58-T63 PolarHBondContact O-N 2.9Å; D58-Y65 HydrophobicContact CB-CE2 3.93Å
59K91.7Very high95.2Very high104 Ų10449.5 Ų49.545%0.45228%0.276SS..THydrogen-bonded Turntrans-68.6-31.1-178.7-54.4-175.2-165.2-165.10111.8P38 Y39 S61 S62P38-K59 WeakPolarHBondContact O-CE 2.86Å; P38-K59 PolarHBondContact O-NZ 3Å; Y39-K59 PolarHBondContact O-NZ 2.8Å; K59-S61 VanDerWaalsContact C-N 3.33Å; K59-S61 PolarHBondContact O-N 2.81Å; K59-S62 PolarHBondContact O-N 2.83Å
60S91.5Very high95.2Very high112 Ų11253.7 Ų53.778%0.78331%0.306SS*.THydrogen-bonded Turntrans-67.8-36.1-177.173.10000112.1D58D58-S60 VanDerWaalsContact C-N 3.3Å; D58-S60 PolarHBondContact O-N 3.49Å; D58-S60 WeakPolarHBondContact OD1-CB 3.34Å; D58-S60 PolarHBondContact OD1-N 2.83Å; D58-S60 PolarHBondContact OD1-OG 3.25Å; D58-S60 PolarHBondContact OD2-OG 3.48Å
61S93.4Very high95.3Very high38 Ų3848.2 Ų48.227%0.26628%0.284SS..THydrogen-bonded Turntrans-99.83.917866.60000113.6D58 K59 T63D58-S61 WeakPolarHBondContact CB-OG 3.47Å; D58-S61 PolarHBondContact OD1-N 2.88Å; D58-S61 WeakPolarHBondContact OD2-CB 3.37Å; D58-S61 PolarHBondContact OD2-OG 3.08Å; K59-S61 VanDerWaalsContact C-N 3.33Å; K59-S61 PolarHBondContact O-N 2.81Å; S61-T63 PolarHBondContact O-N 2.92Å; S61-T63 PolarHBondContact O-OG1 3.46Å; S61-T63 WeakPolarHBondContact OG-CB 3.4Å; S61-T63 PolarHBondContact OG-OG1 2.84Å
62S93.5Very high95.4Very high43 Ų4348 Ų4830%0.30127%0.269SS..THydrogen-bonded Turntrans49.243.6-173.9-60.80000112.7G9 D58 K59G9-S62 PolarHBondContact N-O 3.26Å; D58-S62 PolarHBondContact O-N 2.84Å; D58-S62 VanDerWaalsContact O-N 3.11Å; K59-S62 PolarHBondContact O-N 2.83Å
63T95.7Very high95.3Very high11 Ų1151.1 Ų51.17%0.06730%0.296CS..EExtended strand (participates in β ladder)trans-122.4123.3-174.3-54.10000111.3Y7 D58 S61 Y65Y7-T63 CarbonylContact O-C 3.48Å; Y7-T63 VanDerWaalsContact O-CA 3.27Å; Y7-T63 WeakPolarHBondContact O-CA 3.49Å; Y7-T63 WeakPolarHBondContact O-CG2 3.44Å; D58-T63 PolarHBondContact N-O 2.91Å; D58-T63 PolarHBondContact O-N 2.9Å; S61-T63 PolarHBondContact O-N 2.92Å; S61-T63 PolarHBondContact O-OG1 3.46Å; S61-T63 WeakPolarHBondContact OG-CB 3.4Å; S61-T63 PolarHBondContact OG-OG1 2.84Å; T63-Y65 HydrophobicContact CG2-CD1 4.13Å; T63-Y65 HydrophobicContact CG2-CE1 3.46Å; T63-Y65 VanDerWaalsContact CG2-CE1 3.46Å; T63-Y65 HydrophobicContact CG2-CE2 3.89Å; T63-Y65 WeakPolarHBondContact CG2-OH 3.46Å
64A96.2Very high94.9Very high0 Ų058 Ų580%033%0.328CS..EExtended strand (participates in β ladder)trans-92.5149.9168.900000110.2S6 Y7 F14 I19 W21 I36S6-A64 CarbonylContact C-O 3.52Å; S6-A64 WeakPolarHBondContact CA-O 3.38Å; Y7-A64 HydrophobicContact CD1-CB 4.46Å; Y7-A64 PolarHBondContact N-O 2.87Å; Y7-A64 PolarHBondContact O-N 3.48Å; F14-A64 HydrophobicContact CE2-CB 4.36Å; F14-A64 HydrophobicContact CZ-CB 3.99Å; I19-A64 HydrophobicContact CB-CB 4.2Å; I19-A64 HydrophobicContact CG1-CB 4.11Å; I19-A64 HydrophobicContact CG2-CB 3.82Å; W21-A64 HydrophobicContact CZ2-CB 4.17Å; I36-A64 HydrophobicContact CG2-CB 4.42Å
65Y97.4Very high94.7Very high51 Ų5156.6 Ų56.620%0.232%0.318CS..EExtended strand (participates in β ladder)trans-133.1138.6-179.9-56.4-78.4000111.2K4 I5 L55 N56 D58 T63K4-Y65 HydrophobicContact CD-CD1 4.37Å; K4-Y65 VanDerWaalsContact CE-CG 3.41Å; K4-Y65 HydrophobicContact CG-CD1 4.44Å; I5-Y65 CarbonylContact O-C 3.56Å; I5-Y65 VanDerWaalsContact O-CA 3.27Å; I5-Y65 WeakPolarHBondContact O-CA 3.31Å; L55-Y65 WeakPolarHBondContact CA-O 2.94Å; N56-Y65 PolarHBondContact N-O 3.05Å; N56-Y65 PolarHBondContact O-N 2.95Å; D58-Y65 HydrophobicContact CB-CE2 3.93Å; T63-Y65 HydrophobicContact CG2-CD1 4.13Å; T63-Y65 HydrophobicContact CG2-CE1 3.46Å; T63-Y65 VanDerWaalsContact CG2-CE1 3.46Å; T63-Y65 HydrophobicContact CG2-CE2 3.89Å; T63-Y65 WeakPolarHBondContact CG2-OH 3.46Å
66M97.8Very high94.5Very high0 Ų061 Ų610%035%0.35CS..EExtended strand (participates in β ladder)trans-115.6122.3164.6178.117671.100108.9K4 I5 W21 I33 L55 L68 Y79K4-M66 WeakPolarHBondContact CA-O 3.27Å; I5-M66 HydrophobicContact CD1-CE 3.65Å; I5-M66 PolarHBondContact N-O 2.83Å; I5-M66 PolarHBondContact O-N 3.46Å; W21-M66 HydrophobicContact CB-SD 3.8Å; W21-M66 HydrophobicContact CD2-CB 3.66Å; W21-M66 HydrophobicContact CD2-CE 4.4Å; W21-M66 HydrophobicContact CD2-CG 4.44Å; W21-M66 HydrophobicContact CD2-SD 4.07Å; W21-M66 HydrophobicContact CE3-CB 3.84Å; W21-M66 HydrophobicContact CE3-CE 3.84Å; W21-M66 HydrophobicContact CE3-SD 4.12Å; W21-M66 HydrophobicContact CG-CB 4.19Å; W21-M66 HydrophobicContact CG-SD 3.96Å; W21-M66 HydrophobicContact CH2-CB 4.15Å; W21-M66 HydrophobicContact CZ2-CB 3.99Å; W21-M66 HydrophobicContact CZ3-CB 4.08Å; W21-M66 HydrophobicContact CZ3-CE 4.45Å; I33-M66 HydrophobicContact CB-SD 4.45Å; I33-M66 HydrophobicContact CD1-CE 3.79Å; I33-M66 HydrophobicContact CD1-SD 3.59Å; I33-M66 VanDerWaalsContact CD1-SD 3.59Å; I33-M66 HydrophobicContact CG2-SD 3.83Å; L55-M66 HydrophobicContact CD2-CB 3.7Å; L55-M66 HydrophobicContact CD2-CG 3.61Å; L55-M66 HydrophobicContact CD2-SD 4.18Å; M66-L68 HydrophobicContact CE-CD1 3.96Å; M66-L68 HydrophobicContact CE-CG 4.17Å; M66-L68 HydrophobicContact CG-CD2 4.46Å; M66-L68 HydrophobicContact CG-CG 4.36Å; M66-L68 HydrophobicContact SD-CD2 4.26Å; M66-L68 HydrophobicContact SD-CG 4.42Å; M66-Y79 HydrophobicContact CE-CD1 3.7Å; M66-Y79 HydrophobicContact CE-CE1 4.29Å; M66-Y79 HydrophobicContact CE-CG 4.34Å
67Q97.8Very high94.5Very high61 Ų6158.2 Ų58.229%0.28534%0.338SS..EExtended strand (participates in β ladder)trans-103.5124169.8-170.8172.937.100109.5V3 A53 T54 K69V3-Q67 WeakPolarHBondContact O-CA 3.45Å; A53-Q67 CarbonylContact C-O 3.58Å; A53-Q67 WeakPolarHBondContact CA-O 3.23Å; T54-Q67 PolarHBondContact N-O 2.79Å; T54-Q67 PolarHBondContact O-N 2.92Å; Q67-K69 HydrophobicContact CG-CG 4.38Å
68L96.8Very high94.5Very high1 Ų160.1 Ų60.11%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-103.7129.5171.7-65168.7000109.1S2 V3 A53 M66 L71 Y79S2-L68 WeakPolarHBondContact CA-O 3.48Å; S2-L68 WeakPolarHBondContact CB-O 3.27Å; V3-L68 HydrophobicContact CG1-CB 4.04Å; V3-L68 HydrophobicContact CG1-CD1 4.23Å; V3-L68 PolarHBondContact N-O 2.81Å; V3-L68 PolarHBondContact O-N 3.39Å; A53-L68 HydrophobicContact CB-CD2 3.82Å; M66-L68 HydrophobicContact CE-CD1 3.96Å; M66-L68 HydrophobicContact CE-CG 4.17Å; M66-L68 HydrophobicContact CG-CD2 4.46Å; M66-L68 HydrophobicContact CG-CG 4.36Å; M66-L68 HydrophobicContact SD-CD2 4.26Å; M66-L68 HydrophobicContact SD-CG 4.42Å; L68-L71 HydrophobicContact CB-CD2 3.71Å; L68-L71 HydrophobicContact CD1-CD2 4.4Å; L68-Y79 HydrophobicContact CD1-CD1 4.19Å; L68-Y79 HydrophobicContact CD1-CE1 3.49Å; L68-Y79 VanDerWaalsContact CD1-CE1 3.49Å; L68-Y79 HydrophobicContact CD1-CE2 4.41Å
69K95.9Very high94.6Very high94 Ų9459.8 Ų59.841%0.40935%0.345SS..  trans-112.7163.5178.9-62-178.1-176.31750110.5K52 Q67 L71K52-K69 VanDerWaalsContact CG-O 3.3Å; K52-K69 WeakPolarHBondContact CG-O 3.23Å; K52-K69 PolarHBondContact O-N 2.67Å; Q67-K69 HydrophobicContact CG-CG 4.38Å; K69-L71 VanDerWaalsContact C-N 3.28Å; K69-L71 PolarHBondContact O-N 2.72Å
70S94.3Very high94.8Very high95 Ų9559.9 Ų59.966%0.66434%0.343SS*.SBendtrans52.945.5177.1-54.60000113A1A1-S70 PolarHBondContact O-N 2.77Å
71L94.6Very high94.9Very high50 Ų5056.8 Ų56.826%0.26232%0.321SS..  trans-62.4137.9-177.5-64.6173.1000112A1 V3 L68 K69 D75A1-L71 HydrophobicContact CB-CB 4.25Å; A1-L71 HydrophobicContact CB-CD1 4.44Å; A1-L71 PolarHBondContact O-N 2.75Å; A1-L71 VanDerWaalsContact O-N 3.14Å; V3-L71 HydrophobicContact CB-CD1 4.08Å; V3-L71 HydrophobicContact CG1-CD1 3.94Å; V3-L71 HydrophobicContact CG1-CD2 4.49Å; L68-L71 HydrophobicContact CB-CD2 3.71Å; L68-L71 HydrophobicContact CD1-CD2 4.4Å; K69-L71 VanDerWaalsContact C-N 3.28Å; K69-L71 PolarHBondContact O-N 2.72Å; L71-D75 VanDerWaalsContact CA-OD2 3.29Å; L71-D75 WeakPolarHBondContact CA-OD2 3.38Å; L71-D75 HydrophobicContact CD2-CB 3.81Å
72T93.9Very high94.8Very high72 Ų7257.4 Ų57.444%0.44233%0.328SS..  trans-121175.117368.50000110.2E74 D75T72-E74 PolarHBondContact O-N 3.35Å; T72-E74 PolarHBondContact OG1-N 2.91Å; T72-D75 PolarHBondContact N-OD2 3.24Å; T72-D75 WeakPolarHBondContact O-CB 3.44Å; T72-D75 PolarHBondContact O-N 3.34Å; T72-D75 VanDerWaalsContact O-N 3.09Å; T72-D75 PolarHBondContact OG1-OD2 3Å
73S92.1Very high94.7Very high111 Ų11157.3 Ų57.378%0.77633%0.328SS*.G310 helixtrans-59.2-28.1175.949.90000113.2D75 S76S73-D75 PolarHBondContact O-N 3.11Å; S73-S76 WeakPolarHBondContact O-CB 3.27Å; S73-S76 PolarHBondContact O-N 3.28Å
74E89.3Confident94Very high149 Ų14962.1 Ų62.170%0.69635%0.35SS*.G310 helixtrans-69.6-15.2177.9-59.4-178.6159.200113.3K23 T72 S76K23-E74 PolarHBondContact NZ-O 2.87Å; T72-E74 PolarHBondContact O-N 3.35Å; T72-E74 PolarHBondContact OG1-N 2.91Å; E74-S76 VanDerWaalsContact C-N 3.28Å
75D92.4Very high92.7Very high13 Ų1370 Ų707%0.0739%0.392CS..G310 helixtrans-84.5-3175.3-59.6-51.4000113.2K23 K52 L71 T72 S73 A77 Y79K23-D75 IonicContact NZ-OD1 3.71Å; K52-D75 WeakPolarHBondContact CE-OD1 2.97Å; K52-D75 WeakPolarHBondContact CE-OD2 3.35Å; K52-D75 IonicContact NZ-OD1 2.71Å; K52-D75 PolarHBondContact NZ-OD1 3.48Å; K52-D75 IonicContact NZ-OD2 2.62Å; K52-D75 PolarHBondContact NZ-OD2 2.97Å; L71-D75 VanDerWaalsContact CA-OD2 3.29Å; L71-D75 WeakPolarHBondContact CA-OD2 3.38Å; L71-D75 HydrophobicContact CD2-CB 3.81Å; T72-D75 PolarHBondContact N-OD2 3.24Å; T72-D75 WeakPolarHBondContact O-CB 3.44Å; T72-D75 PolarHBondContact O-N 3.34Å; T72-D75 VanDerWaalsContact O-N 3.09Å; T72-D75 PolarHBondContact OG1-OD2 3Å; S73-D75 PolarHBondContact O-N 3.11Å; D75-A77 PolarHBondContact O-N 2.62Å; D75-A77 VanDerWaalsContact O-N 3.09Å; D75-Y79 WeakPolarHBondContact O-CE2 3.4Å; D75-Y79 PolarHBondContact O-OH 3.47Å
76S94.1Very high92.4Very high98 Ų9871 Ų7169%0.68540%0.402SS*.  trans-67.5107.6171.8-167.80000109.9S73 E74S73-S76 WeakPolarHBondContact O-CB 3.27Å; S73-S76 PolarHBondContact O-N 3.28Å; E74-S76 VanDerWaalsContact C-N 3.28Å
77A95.3Very high92.1Very high28 Ų2874.7 Ų74.723%0.23142%0.423CS..SBendtrans-163.3166.8-171.900000110K23 Q24 D75 Y79K23-A77 HydrophobicContact CD-CB 4.14Å; K23-A77 HydrophobicContact CG-CB 3.52Å; Q24-A77 WeakPolarHBondContact O-CA 3.42Å; Q24-A77 VanDerWaalsContact O-CB 3.3Å; Q24-A77 WeakPolarHBondContact O-CB 3.37Å; D75-A77 PolarHBondContact O-N 2.62Å; D75-A77 VanDerWaalsContact O-N 3.09Å; A77-Y79 HydrophobicContact CB-CE2 4.03Å; A77-Y79 WeakPolarHBondContact O-CD2 3.27Å
78V96Very high91.8Very high76 Ų7675.5 Ų75.546%0.46143%0.43SS..EExtended strand (participates in β ladder)trans-85.6135.9163.5-172.90000108.3Q24 Y80Q24-V78 PolarHBondContact N-O 3.48Å; Q24-V78 PolarHBondContact O-N 3.5Å; V78-Y80 HydrophobicContact CB-CE2 3.88Å; V78-Y80 HydrophobicContact CG1-CD2 4.25Å; V78-Y80 HydrophobicContact CG1-CE1 3.97Å; V78-Y80 HydrophobicContact CG1-CE2 3.56Å; V78-Y80 WeakPolarHBondContact CG1-OH 3.47Å
79Y96.8Very high91.5Very high48 Ų4879.9 Ų79.919%0.18846%0.455CS..EExtended strand (participates in β ladder)trans-113.1128.2178.8-67.8-89000109.3I5 V22 K23 I33 M66 L68 D75 A77I5-Y79 HydrophobicContact CD1-CD1 4.33Å; I5-Y79 HydrophobicContact CD1-CD2 4.1Å; I5-Y79 HydrophobicContact CD1-CG 3.8Å; V22-Y79 WeakPolarHBondContact O-CA 3.44Å; K23-Y79 HydrophobicContact CB-CD1 4.22Å; K23-Y79 HydrophobicContact CB-CE1 4.01Å; K23-Y79 HydrophobicContact CD-CE1 4.09Å; K23-Y79 HydrophobicContact CG-CD1 4.32Å; K23-Y79 HydrophobicContact CG-CE1 3.78Å; I33-Y79 HydrophobicContact CD1-CD1 3.8Å; I33-Y79 HydrophobicContact CD1-CE1 3.96Å; M66-Y79 HydrophobicContact CE-CD1 3.7Å; M66-Y79 HydrophobicContact CE-CE1 4.29Å; M66-Y79 HydrophobicContact CE-CG 4.34Å; L68-Y79 HydrophobicContact CD1-CD1 4.19Å; L68-Y79 HydrophobicContact CD1-CE1 3.49Å; L68-Y79 VanDerWaalsContact CD1-CE1 3.49Å; L68-Y79 HydrophobicContact CD1-CE2 4.41Å; D75-Y79 WeakPolarHBondContact O-CE2 3.4Å; D75-Y79 PolarHBondContact O-OH 3.47Å; A77-Y79 HydrophobicContact CB-CE2 4.03Å; A77-Y79 WeakPolarHBondContact O-CD2 3.27Å
80Y95.6Very high91.3Very high106 Ų10679 Ų7942%0.41646%0.458SS..EExtended strand (participates in β ladder)trans-112.7151.1-179.7-61.6-83.3000110.4V22 Q24 L30 V78V22-Y80 PolarHBondContact N-O 2.95Å; V22-Y80 PolarHBondContact O-N 2.94Å; Q24-Y80 HydrophobicContact CB-CD2 4.33Å; Q24-Y80 HydrophobicContact CB-CE2 3.77Å; Q24-Y80 PolarHBondContact OE1-OH 2.81Å; L30-Y80 HydrophobicContact CD2-CD2 4.27Å; L30-Y80 HydrophobicContact CD2-CE2 4.37Å; V78-Y80 HydrophobicContact CB-CE2 3.88Å; V78-Y80 HydrophobicContact CG1-CD2 4.25Å; V78-Y80 HydrophobicContact CG1-CE1 3.97Å; V78-Y80 HydrophobicContact CG1-CE2 3.56Å; V78-Y80 WeakPolarHBondContact CG1-OH 3.47Å
81C94.2Very high91.1Very high48 Ų4877.9 Ų77.932%0.32445%0.445SS..EExtended strand (participates in β ladder)trans-127.6142.3169.449.70000108.5Y7 L20 W21Y7-C81 HydrophobicContact CD2-CB 4.03Å; Y7-C81 WeakPolarHBondContact CD2-SG 3.47Å; Y7-C81 HydrophobicContact CG-CB 4.01Å; L20-C81 VanDerWaalsContact O-CA 3.26Å; L20-C81 WeakPolarHBondContact O-CA 3.46Å; W21-C81 HydrophobicContact CD2-CB 4.34Å; W21-C81 HydrophobicContact CE3-CB 3.89Å; W21-C81 HydrophobicContact CH2-CB 4.07Å; W21-C81 HydrophobicContact CZ2-CB 4.48Å; W21-C81 HydrophobicContact CZ3-CB 3.74Å
82A92.3Very high90.8Very high50 Ų5079.9 Ų79.941%0.41346%0.458SS..EExtended strand (participates in β ladder)trans-140.7145.8177.600000109.6I19 L20I19-A82 CarbonylContact C-O 3.45Å; I19-A82 WeakPolarHBondContact CA-O 3.3Å; L20-A82 PolarHBondContact N-O 2.81Å; L20-A82 PolarHBondContact O-N 2.78Å
83S90.8Very high90.6Very high42 Ų4280.5 Ų80.529%0.29446%0.459SS..EExtended strand (participates in β ladder)trans-96.3130.916751.20000109.2N18N18-S83 CarbonylContact O-C 3.56Å; N18-S83 WeakPolarHBondContact O-CA 3.4Å
84E81.5Confident90.4Very high112 Ų11278 Ų7852%0.52343%0.432SS..EExtended strand (participates in β ladder)trans-120.6134.5176-175176.5-133.300109.3Y17 N18 L20Y17-E84 WeakPolarHBondContact CA-O 3.36Å; N18-E84 PolarHBondContact N-O 3.41Å; N18-E84 PolarHBondContact O-N 2.62Å; L20-E84 HydrophobicContact CD1-CB 3.37Å; L20-E84 HydrophobicContact CD1-CG 4.39Å
85D67.1Low90.5Very high166 Ų16671.5 Ų71.589%0.88841%0.408SS*.  trans-63.60174-76.1-76000111.9Y17Y17-D85 HydrophobicContact CE1-CB 4.12Å; Y17-D85 WeakPolarHBondContact CE1-OD1 3.36Å; Y17-D85 PolarHBondContact OH-OD1 3.45Å

Retrieved 85 of 85 residues in 21.3 ms (Link to these results)

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